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Energy

Working Paper

First-Principles Study of CaB12H12 as a Potential Solid-State Conductor for Ca

Julius Koettgen, Christopher Bartel, Jimmy-Xuan Shen, Kristin Persson, Gerbrand Ceder

Version 1 posted 06 July 2020

626

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Physical Chemistry

Working Paper

Phosphonium-Based Binary and Ternary Super-Concentrated Liquid Electrolytes for Magnesium Batteries

miles arthur white, Emily V. Carino, Julian Self, Kristin Persson, Brett Helms

Version 1 posted 23 September 2019

882

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1

Citations

Inorganic Chemistry

Working Paper

Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network

Xiaowei Xie, Evan Spotte-Smith, Hetal Patel, Samuel Blau, Kristin Persson

Version 1 posted 04 June 2021

349

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Theoretical and Computational Chemistry

Working Paper

Chemical Reaction Networks Explain Gas Evolution Mechanisms in Mg-Ion Batteries

Evan Walter Clark Spotte-Smith, Samuel M. Blau, Daniel Barter, Noel J. Leon, Nathan T. Hahn, Nikita S. Redkar, Kevin R. Zavadil, Chen Liao, Kristin A. Persson

Version 2 posted 07 April 2023

349

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Theoretical and Computational Chemistry

Working Paper

Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics

Alexander R. Epstein, Evan Walter Clark Spotte-Smith, Maxwell C. Venetos, Oxana Andriuc, Kristin A. Persson

Version 1 posted 10 February 2023

286

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1

Citations

Materials Chemistry

Working Paper

The reductive decomposition kinetics and thermodynamics that govern the design of fluorinated alkoxyaluminate/borate salts for Mg-ion and Ca-ion batteries

Xiaowei Xie, Noel Leon, David Small, Evan Clark Spotte-Smith, Chen Liao, Kristin Persson

Version 1 posted 30 August 2022

213

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Catalysis

Working Paper

Free-Atom-Like d States Beyond the Dilute Limit of Single-Atom Alloys

Andrew Rosen, Sudarshan Vijay, Kristin Persson

Version 2 posted 27 September 2022

466

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1

Citations

Theoretical and Computational Chemistry

Working Paper

A critical analysis of chemical and electrochemical oxidation mechanisms in Li-ion batteries

Evan Walter Clark Spotte-Smith, Sudarshan Vijay, Thea Bee Petrocelli, Bernardine L.D. Rinkel, Bryan D. McCloskey, Kristin A. Persson

Version 2 posted 20 December 2023

270

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Catalysis

Working Paper

Systematic Computational Study of Oxide Adsorption Properties for Applications in Photocatalytic CO2 Reduction

Oxana Andriuc, Martin Siron, Kristin Persson

Version 1 posted 05 February 2024

211

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Polymer Science

Working Paper

Uncoupling Short-Range Bond Exchange From Long-Range Viscoelastic Flow in Circular Polydiketoenamine Elastomers

Eric Dailing, Pawan Khanal, Alexander Epstein, Jeremy Demarteau, Kristin Persson, Brett Helms

Version 1 posted 25 May 2023

217

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40 results in Kristin A. Persson in Authors: Kristin A. Persson

First-Principles Study of CaB12H12 as a Potential Solid-State Conductor for Ca

Phosphonium-Based Binary and Ternary Super-Concentrated Liquid Electrolytes for Magnesium Batteries

Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network

Chemical Reaction Networks Explain Gas Evolution Mechanisms in Mg-Ion Batteries

Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics

The reductive decomposition kinetics and thermodynamics that govern the design of fluorinated alkoxyaluminate/borate salts for Mg-ion and Ca-ion batteries

Free-Atom-Like d States Beyond the Dilute Limit of Single-Atom Alloys

A critical analysis of chemical and electrochemical oxidation mechanisms in Li-ion batteries

Systematic Computational Study of Oxide Adsorption Properties for Applications in Photocatalytic CO2 Reduction

Uncoupling Short-Range Bond Exchange From Long-Range Viscoelastic Flow in Circular Polydiketoenamine Elastomers

40 results in Authors: Kristin A. Persson